Diamantane - ≥97% , CAS No.2292-79-7

CAS: 2292-79-7 Cat. No.: D155205 분자식: C₁₄H₂₀ 분자량: 188.31 EC 번호: 850-415-3

등급 & 순도 ≥97%

Synonyms

N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid|pentacyclo[7.3.1.1(4,12).0(2,7).0(6,11)]tetradecane|(6)Diadamantane|3,5,1,7-(1,2,3,4)Butanetetraylnaphthalene, decahydro-|pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane|Congressane

Storage

Room temperature

Shipped In

Normal

사양

동의어

N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid | pentacyclo[7.3.1.1(4,12).0(2,7).0(6,11)]tetradecane | (6)Diadamantane | 3,5,1,7-(1,2,3,4)Butanetetraylnaphthalene, decahydro- | pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane | Congressane

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

488187722

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187722

정식 스마일

C1C2CC3C4C1C5CC(C4)CC3C5C2

IUPAC Name

pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane

InChIKey

ZICQBHNGXDOVJF-UHFFFAOYSA-N

INCHI

1S/C14H20/c1-7-2-12-10-4-8-5-11(9(1)10)13(3-7)14(12)6-8/h7-14H,1-6H2

이성체 SMILES

C1C2CC3C4C1C5CC(C4)CC3C5C2

분자량

188.31

Reaxy-Rn

1904934

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904934&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • 분류 Polycyclic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• 분류: Polycyclic hydrocarbons
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polycyclic hydrocarbons
• Alternative Parents: Saturated hydrocarbons
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Polycyclic hydrocarbon - Saturated hydrocarbon - Aliphatic homopolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as polycyclic hydrocarbons. These are polycyclic organic compounds made up only of carbon and hydrogen atoms.
• External Descriptors: polycyclic cage - polycyclic alkane

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

화학 및 물리적 특성

• 녹는점(°C): 243-247℃
• 분자량: 188.310 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 188.157 Da
• Monoisotopic Mass: 188.157 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 205.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1